5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione

C14H13N3O3 — CID 3964694

IUPAC5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
SMILESC=CCc1cccc(/C=N/c2c[nH]c(=O)[nH]c2=O)c1O
InChIInChI=1S/C14H13N3O3/c1-2-4-9-5-3-6-10(12(9)18)7-15-11-8-16-14(20)17-13(11)19/h2-3,5-8,18H,1,4H2,(H2,16,17,19,20)/b15-7+
InChIKeyYBAWUOZQHMIOFI-VIZOYTHASA-N
MW271.28 g/mol
LogP1.25
Rot. Bonds4

About 5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione

5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione (PubChem CID 3964694) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
PubChem CID3964694
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
SMILESC=CCc1cccc(/C=N/c2c[nH]c(=O)[nH]c2=O)c1O
InChIInChI=1S/C14H13N3O3/c1-2-4-9-5-3-6-10(12(9)18)7-15-11-8-16-14(20)17-13(11)19/h2-3,5-8,18H,1,4H2,(H2,16,17,19,20)/b15-7+
InChIKeyYBAWUOZQHMIOFI-VIZOYTHASA-N
XLogP1.25
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione (CID 3964694) is 5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione is C=CCc1cccc(/C=N/c2c[nH]c(=O)[nH]c2=O)c1O.
What is the InChIKey of 5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
The InChIKey is YBAWUOZQHMIOFI-VIZOYTHASA-N. The full InChI is InChI=1S/C14H13N3O3/c1-2-4-9-5-3-6-10(12(9)18)7-15-11-8-16-14(20)17-13(11)19/h2-3,5-8,18H,1,4H2,(H2,16,17,19,20)/b15-7+.
What are the key properties of 5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione has a molecular weight of 271.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3964694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).